0 B9R1.8 CCCC1=NC=CN=C1 CS-905 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 ClCCC1=CC=CC=C1 06-1703 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 N#CCC1=CN=CN=C1 08-7866 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 N#CCC1=CN=NC=C1 08-5548 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 N#CCC1=NC=CC=N1 08-7911 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.8 N#CCC1=NC=NC=C1 08-7914 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 N#CCC1=NN=CC=C1 08-7913 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.8 NNCC1=CC=CC=C1 08-3921 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 NNCC1=CC=CN=C1 08-10226 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 NNCC1=CC=CN=C1 08-5284 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 NNCC1=CN=CN=C1 08-5287 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.8 NNCC1=NC=CC=C1 08-10225 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 NNCC1=NC=CC=C1 08-5285 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 NNCC1=NC=CC=N1 08-7435 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.8 NOCC1=CC=CC=C1 04-449 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.8 OCCC1=CC=CC=C1 026140S [0,0,0,0,0,0|2,1,0]=3 16 B9R1.8 O\N=C\C1=NC=CC=C1 08-9947 [0,0,0,0,0,0|2,1,1]=4 17 B8R1.2 C#CC1=NC=CN=C1 08-8414 [1,0,0,0,0,0|0,0,2]=3 18 B8R1.2 COC1=NC=CN=C1 08-1176 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.2 CSC1=NC=CC=N1 08-1213 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 CSC1=NN=CC=N1 08-3281 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 ClCC1=CN=CN=C1 08-4296 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 ClCC1=NC=CC=N1 08-5006 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 ClCC1=NC=CN=C1 08-5005 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.2 NCC1=CC=CN=N1 08-4544 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 NCC1=CN=CN=C1 08-5532 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 NCC1=CN=NC=C1 08-4543 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 NCC1=NC=CC=N1 08-5534 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 NCC1=NC=CC=N1 24-1423 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 NCC1=NC=CC=N1 24-1854 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 NCC1=NC=CN=C1 020935 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 NCC1=NC=NC=C1 08-4545 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 NNC1=CC=CN=C1 08-5282 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 NNC1=NC=CN=C1 08-5288 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 O=CC1=NC=CN=C1 08-5551 [1,0,0,0,0,0|0,1,1]=3 35 B8R1.2 OCC1=CC=CC=C1 026177S [1,0,0,0,0,0|2,1,0]=4 36 B8R1.2 OCC1=CN=CC=C1 08-9954 [1,0,0,0,0,0|1,1,0]=3 37 B8R1.2 OCC1=CN=CN=C1 08-4509 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.2 OCC1=NC=CC=N1 08-5552 [1,0,0,0,0,0|2,1,0]=4 39 B8R1.2 OCC1=NC=CN=C1 08-7857 [1,0,0,0,0,0|0,1,0]=2 40 B8R1.2 OCC1=NC=NC=C1 08-5557 [1,0,0,0,0,0|2,1,0]=4 41 B10R1.1 CCOC1=NC=C(N)N=C1 08-10134 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.1 FC1=CC=C(CCCl)C=C1 26-382 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.1 NC1=CC=C(CCO)C=C1 06-010 [0,1,0,0,0,0|2,1,0]=4 44 B10R1.1 NCCC1=CC=C(O)C=C1 025567 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.1 NCCC1=NC=C(Br)C=C1 08-6210 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.1 OC1=CC=C(CCBr)C=C1 08-10497 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.1 OCCC1=CC=C(F)C=C1 09-1294 [0,1,0,0,0,0|2,1,0]=4 48 B10R1.1 OCCC1=CC=C(O)C=C1 024834 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.1 OCCC1=NC=C(Br)C=C1 08-6714 [0,1,0,0,0,0|1,1,0]=3 50 B10R1.4 CCOC1=NC=CC=C1O 08-6012 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.4 N#CCC1=CC=CN=C1Cl 08-5051 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.4 OCCC1=C(F)C=CC=C1 09-1293 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.10 CC1=CC=CC(CCN)=C1 08-10151 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.15 COC(=O)C1=NC=CN=C1 08-1209 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CS-890 [0,1,0,0,0,0|2,1,0]=4 56 B10R1.17 FCCCC1=CC=CC=C1 26-1053 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.17 N#CCCC1=CC=CC=C1 CS-895 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.17 OCCCC1=CC=CC=C1 CS-892 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.17 OCCCC1=NC=CC=C1 08-7929 [0,1,0,0,0,0|1,1,0]=3 60 B10R2.7 C1=CC2=C(C=CS2)C=N1 08-3819 [0,0,0,1,0,0|1,0,2]=4 61 B10R2.7 C1=CC2=C(C=N1)CNC2 08-2067 [0,0,0,1,0,0|3,0,0]=4 62 B10R2.7 C1=CN=C2NC=CC2=N1 08-7916 [0,0,0,1,0,0|1,0,2]=4 63 B10R2.7 C1=CN=C2NCCC2=C1 08-5088 [0,0,0,1,0,0|2,0,0]=3 64 B10R2.7 C1=CN=C2NN=CC2=N1 08-5631 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.8 N#CCC1=CN=CN1 08-7504 [0,0,0,0,1,0|1,0,2]=4 66 B8R1.8 NCCC1=CNC=N1 BIO-830 [0,0,0,0,1,0|1,0,1]=3 67 B7R1.3 BrC1=CN=CC=C1 08-969 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.3 CC1=CC=CN=N1 08-5378 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.3 CC1=CN=NC=C1 08-2430 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.3 CC1=NC=NC=C1 08-649 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.3 ClC1=NC=CN=C1 08-3515 [2,0,0,0,0,0|1,0,0]=3 72 B7R1.3 FC1=CN=CC=C1 26-1055 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.3 FC1=NC=CC=C1 26-1054 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.3 FC1=NC=CN=C1 26-3889 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.3 IC1=NC=CN=C1 08-351 [2,0,0,0,0,0|1,0,0]=3 76 B7R1.3 NC1=CC=CN=C1 CS-079 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.3 OC1=NC=CC=C1 04-1828 [2,0,0,0,0,0|1,1,0]=4 78 B9R1.1 C#CC1=CN=C(N)C=N1 08-10241 [1,1,0,0,0,0|0,0,2]=4 79 B9R1.1 CC1=CN=C(CN)C=N1 08-1465 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.1 CC1=NC=C(CN)C=C1 08-5429 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.1 CCC1=CC=C(F)C=C1 21-320 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.1 CCC1=CC=C(O)C=C1 026459 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.1 CCC1=NC=C(Br)C=C1 08-6451 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.1 COC1=CN=C(Br)C=C1 08-553 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.1 COC1=CN=C(F)C=C1 08-9526 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.1 COC1=CN=C(I)C=C1 08-796 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.1 COC1=CN=C(N)C=C1 08-8094 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.1 COC1=NC=C(F)C=C1 08-8426 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.1 COC1=NC=C(N)N=C1 08-10107 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.1 COC1=NC=C(O)C=C1 08-6058 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.1 CSC1=NC=C(Br)C=C1 08-964 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.1 FC1=CC=C(CS)C=C1 26-882 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.1 FC1=NC=C(CBr)C=C1 08-6752 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.1 FC1=NC=C(CCl)C=C1 08-7029 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.1 N#CC1=CN=C(Br)C=N1 08-1638 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.1 N#CC1=CN=C(Cl)C=N1 08-3501 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.1 N#CC1=NC=C(N)N=C1 08-1481 [1,1,0,0,0,0|1,0,1]=4 98 B9R1.1 NC1=NC=C(CO)C=C1 08-4596 [1,1,0,0,0,0|1,1,0]=4 99 B9R1.1 NCC1=CN=C(Br)C=C1 08-1518 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.1 NCC1=CN=C(Cl)C=C1 08-4609 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.1 NCC1=NC=C(Br)C=C1 08-1516 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.1 NCC1=NC=C(Cl)C=C1 08-10211 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.1 NCC1=NC=C(Cl)C=C1 08-3391 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.1 NCC1=NC=C(O)C=C1 08-4143 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.1 OCC1=CN=C(Br)C=C1 08-1704 [1,1,0,0,0,0|1,1,0]=4 106 B9R1.1 OCC1=CN=C(Cl)C=N1 08-6899 [1,1,0,0,0,0|0,1,0]=3 107 B9R1.1 OCC1=CN=C(F)C=C1 08-2652 [1,1,0,0,0,0|1,1,0]=4 108 B9R1.1 OCC1=NC=C(Br)C=C1 08-1674 [1,1,0,0,0,0|1,1,0]=4 109 B9R1.1 OCC1=NC=C(Cl)C=C1 08-4263 [1,1,0,0,0,0|1,1,0]=4 110 B9R1.1 OCC1=NC=C(F)C=C1 08-5251 [1,1,0,0,0,0|1,1,0]=4 111 B9R1.2 CC1=CC(CN)=NC=C1 08-10210 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.2 CC1=CC(CN)=NC=C1 08-3385 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.2 CCC1=CC=CC(O)=C1 CS-543 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.2 COC1=CC(Br)=CN=C1 08-117 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.2 COC1=CC=CC(Br)=N1 08-952 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.2 COC1=CN=CC(Br)=N1 08-4210 [1,1,0,0,0,0|1,0,0]=3 117 B9R1.2 COC1=CN=CC(Cl)=N1 08-1017 [1,1,0,0,0,0|1,0,0]=3 118 B9R1.2 COC1=CN=CC(I)=N1 08-1162 [1,1,0,0,0,0|1,0,0]=3 119 B9R1.2 COC1=CN=CC(N)=C1 08-6370 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.2 COC1=CN=CC(O)=C1 08-6045 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.2 COC1=NC(N)=CN=C1 08-10108 [1,1,0,0,0,0|1,0,0]=3 122 B9R1.2 COC1=NC=CC(Br)=C1 08-1720 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.2 COC1=NC=CC(Cl)=C1 08-8262 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.2 COC1=NC=CC(N)=C1 08-9974 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.2 COC1=NC=CC(O)=C1 08-8534 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.2 FC1=CC(CCl)=CN=C1 08-6911 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.2 N#CC1=CN=CC(Cl)=N1 08-3063 [1,1,0,0,0,0|1,0,1]=4 128 B9R1.2 N#CC1=NC(N)=CN=C1 08-3373 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.2 NCC1=CC(Br)=CN=C1 08-1517 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.2 NCC1=CC(F)=CN=C1 08-3396 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.2 NCC1=CN=CC(N)=C1 08-4150 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.2 NCC1=NC=CC(Br)=C1 08-6211 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.2 OCC1=CC(Br)=CN=C1 08-707 [1,1,0,0,0,0|1,1,0]=4 134 B9R1.2 OCC1=CC(F)=CN=C1 08-5255 [1,1,0,0,0,0|1,1,0]=4 135 B9R1.2 OCC1=CC=CC(Cl)=N1 08-10218 [1,1,0,0,0,0|1,1,0]=4 136 B9R1.2 OCC1=NC=CC(Br)=C1 08-4709 [1,1,0,0,0,0|1,1,0]=4 137 B9R1.2 OCC1=NC=CC(Cl)=C1 08-1322 [1,1,0,0,0,0|1,1,0]=4 138 B9R1.6 C[C@H](N)C1=CN=CN=C1 08-6310 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.6 O=C(O)C1=NC=CN=C1 12-906 [1,1,0,0,0,0|0,1,1]=4 140 B9R1.15 BrCC1=CC=CN=C1Br 08-3421 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.15 CC1=C(CCl)C=CC=N1 08-10202 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.15 CC1=NC=CN=C1NN 08-10319 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.15 CCC1=C(F)C=NC=N1 08-5202 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.15 COC1=C(Br)C=CC=N1 08-9850 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.15 COC1=C(Br)C=CN=C1 08-5893 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.15 COC1=C(N)C=CN=C1 08-6068 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.15 COC1=C(O)C=CN=C1 08-6059 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.15 COC1=CC=CN=C1Br 08-2947 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.15 COC1=CC=CN=C1F 08-9925 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.15 COC1=NC=CC=C1O 08-9548 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.15 COC1=NC=CN=C1C CS-669 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.15 COC1=NC=CN=C1Cl 08-5061 [1,1,0,0,0,0|1,0,0]=3 153 B9R1.15 COC1=NC=CN=C1I 08-2274 [1,1,0,0,0,0|1,0,0]=3 154 B9R1.15 CSC1=NC=CC=C1F 08-8431 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.15 ClCC1=C(Br)C=CC=N1 08-9573 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.15 ClCC1=CC=CN=C1Cl 08-7007 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.15 FC1=CC=CN=C1CBr 08-6720 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.15 FC1=CC=CN=C1CCl 08-5958 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.15 N#CC1=NC=CN=C1Cl 08-5050 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.15 NCC1=C(Br)C=CC=N1 08-10622 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.15 NCC1=C(F)C=CC=N1 08-5776 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.15 NCC1=C(F)C=CC=N1 20-1852 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.15 NCC1=NC=CN=C1Cl 08-5966 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.15 OCC1=C(F)C=CC=N1 08-6018 [1,1,0,0,0,0|1,1,0]=4 165 B9R1.15 OCC1=CC=CN=C1Cl 08-6886 [1,1,0,0,0,0|1,1,0]=4 166 B9R1.15 OCC1=CC=CN=C1F 08-6036 [1,1,0,0,0,0|1,1,0]=4 167 B9R1.15 OCC1=NC=CN=C1Cl 08-6903 [1,1,0,0,0,0|0,1,0]=3 168 B9R1.7 CN1C=NC(CCN)=C1 08-9207 [0,1,0,0,1,0|1,0,1]=4 169 B9R1.7 OCCC1=CC(Br)=NO1 08-942 [0,1,0,0,1,0|1,1,0]=4 170 B9R1.33 CC1=C(CCN)SC=N1 08-2452 [0,1,0,0,1,0|2,0,0]=4 171 B11R1.24 CCNCC1=CC(Br)=CN=C1 08-10220 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.24 OCCCC1=CC=CC(F)=N1 06-1043 [0,2,0,0,0,0|1,1,0]=4 173 B11R1.7 OCC(F)(F)C1=NC=CC=C1 08-7088 [0,2,0,0,0,0|1,1,0]=4 174 B9R2.2 C1=CNC(C2CC2)=N1 08-6902 [0,0,0,1,1,0|1,0,1]=4 175 B11R2.106 BrC1=C2NCCC2=CN=C1 08-6807 [0,1,0,1,0,0|2,0,0]=4 176 B11R2.106 ClC1=NC=CC2=C1CCN2 08-5074 [0,1,0,1,0,0|2,0,0]=4 177 B11R2.1 O=C1CCC2=C1C=CC=N2 08-3134 [0,1,0,1,0,0|1,1,0]=4 178 B7R1.1 COC1=NC=CS1 08-802 [1,0,0,0,1,0|2,0,0]=4 179 B7R1.1 ClCC1=CNC=N1 08-1020 [1,0,0,0,1,0|1,0,1]=4 180 B7R1.1 ClCC1=CSC=N1 08-1023 [1,0,0,0,1,0|2,0,0]=4 181 B7R1.1 NCC1=COC=C1 08-8102 [1,0,0,0,1,0|2,0,0]=4 182 B7R1.1 NCC1=COC=N1 08-7811 [1,0,0,0,1,0|2,0,0]=4 183 B7R1.1 NCC1=CSC=C1 08-2562 [1,0,0,0,1,0|2,0,0]=4 184 B7R1.1 NCC1=CSC=N1 08-4525 [1,0,0,0,1,0|2,0,0]=4 185 B7R1.1 NCC1=NOC=C1 08-7508 [1,0,0,0,1,0|2,0,0]=4 186 B7R1.1 OCC1=CC=CO1 025186S [1,0,0,0,1,0|1,1,0]=4 187 B7R1.1 OCC1=CN=CS1 08-1157 [1,0,0,0,1,0|1,1,0]=4 188 B7R1.1 OCC1=CNC=N1 08-1153 [1,0,0,0,1,0|0,1,1]=4 189 B7R1.1 OCC1=COC=N1 08-7810 [1,0,0,0,1,0|1,1,0]=4 190 B7R1.1 OCC1=CSC=N1 08-10120 [1,0,0,0,1,0|1,1,0]=4 191 B7R1.1 OCC1=CSC=N1 08-1155 [1,0,0,0,1,0|1,1,0]=4 192 B7R1.1 OCC1=NC=CS1 08-3661 [1,0,0,0,1,0|1,1,0]=4 193 B7R1.1 OCC1=NNC=C1 08-7446 [1,0,0,0,1,0|1,1,0]=4